[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

C22H18N2O6 — CID 8510430

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N3CCOC3=O)o2)cc1
InChIInChI=1S/C22H18N2O6/c1-14-6-8-15(9-7-14)18-12-23-20(30-18)16-4-2-3-5-17(16)21(26)29-13-19(25)24-10-11-28-22(24)27/h2-9,12H,10-11,13H2,1H3
InChIKeyUXTUANAGMBMYPR-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.45
Rot. Bonds5

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 8510430) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID8510430
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N3CCOC3=O)o2)cc1
InChIInChI=1S/C22H18N2O6/c1-14-6-8-15(9-7-14)18-12-23-20(30-18)16-4-2-3-5-17(16)21(26)29-13-19(25)24-10-11-28-22(24)27/h2-9,12H,10-11,13H2,1H3
InChIKeyUXTUANAGMBMYPR-UHFFFAOYSA-N
XLogP3.45
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8743973
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 38167689
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78861411
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 8751097

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (CID 8510430) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N3CCOC3=O)o2)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is UXTUANAGMBMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6/c1-14-6-8-15(9-7-14)18-12-23-20(30-18)16-4-2-3-5-17(16)21(26)29-13-19(25)24-10-11-28-22(24)27/h2-9,12H,10-11,13H2,1H3.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 406.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 8510430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).